4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one

C14H20N2O — CID 82495819

IUPAC4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
SMILESCC(C)Cc1ccc(N2CC(N)CC2=O)cc1
InChIInChI=1S/C14H20N2O/c1-10(2)7-11-3-5-13(6-4-11)16-9-12(15)8-14(16)17/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeyGKSZOFIDNXSMBG-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.95
Rot. Bonds3

About 4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one

4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one (PubChem CID 82495819) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
PubChem CID82495819
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
SMILESCC(C)Cc1ccc(N2CC(N)CC2=O)cc1
InChIInChI=1S/C14H20N2O/c1-10(2)7-11-3-5-13(6-4-11)16-9-12(15)8-14(16)17/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeyGKSZOFIDNXSMBG-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
CID 138958614
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one
CID 68614864
4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 68614609
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide
CID 168699643
4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
CID 168699248
4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168699241
4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
CID 54792619

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one (CID 82495819) is 4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one is CC(C)Cc1ccc(N2CC(N)CC2=O)cc1.
What is the InChIKey of 4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one?
The InChIKey is GKSZOFIDNXSMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)7-11-3-5-13(6-4-11)16-9-12(15)8-14(16)17/h3-6,10,12H,7-9,15H2,1-2H3.
What are the key properties of 4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one?
4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 82495819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).